(3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid

C23H20N2O4 — CID 67794028

IUPAC(3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(N[C@H]1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O4/c26-21(18-11-10-16-8-4-5-9-17(16)12-18)24-20-19(23(28)29)14-25(22(20)27)13-15-6-2-1-3-7-15/h1-12,19-20H,13-14H2,(H,24,26)(H,28,29)/t19-,20-/m1/s1
InChIKeyYRXLYNBBOAEXLY-WOJBJXKFSA-N
MW388.42 g/mol
LogP2.68
Rot. Bonds5

About (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid

(3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 67794028) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID67794028
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(N[C@H]1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O4/c26-21(18-11-10-16-8-4-5-9-17(16)12-18)24-20-19(23(28)29)14-25(22(20)27)13-15-6-2-1-3-7-15/h1-12,19-20H,13-14H2,(H,24,26)(H,28,29)/t19-,20-/m1/s1
InChIKeyYRXLYNBBOAEXLY-WOJBJXKFSA-N
XLogP2.68
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid (CID 67794028) is (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid is O=C(N[C@H]1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YRXLYNBBOAEXLY-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-21(18-11-10-16-8-4-5-9-17(16)12-18)24-20-19(23(28)29)14-25(22(20)27)13-15-6-2-1-3-7-15/h1-12,19-20H,13-14H2,(H,24,26)(H,28,29)/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid?
(3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 67794028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).